3H5A
Crystal structure of E. coli MccB
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.28290, 1.28330, 1.25000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 144.649, 145.035, 158.688 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.690 - 2.800 |
| R-factor | 0.224 |
| Rwork | 0.223 |
| R-free | 0.25500 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.509 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.10) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.101 | 0.378 |
| Number of reflections | 81993 | |
| <I/σ(I)> | 27.217 | |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277.2 | 2.1 M NaCl, 100 mM Tris-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.2K |
